# AFLOW CIF FILE
# AFLOW.org Repositories
# ANRL - DUKE UNIVERSITY
# Part 1 (2017) doi: 10.1016/j.commatsci.2017.01.017
# Part 2 (2018) doi: 10.1016/j.commatsci.2018.10.043
# Part 3 (2021) doi: 10.1016/j.commatsci.2021.110450
# Part 4 (2024) doi: 10.1016/j.commatsci.2024.112988
# Chemical Composition:  Al3Mn

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A9B4_oP156_62_5c11d_6c3d-001

# Last updated on 2024/08/01

data_Al108Mn48
_pd_phase_name Al108Mn48
_cell_length_a  14.8300000000
_cell_length_b  12.4300000000
_cell_length_c  12.5100000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'Pnma'
_symmetry_Int_Tables_Number  62
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x+1/2,-y,z+1/2
  3  -x,y+1/2,-z
  4  x+1/2,-y+1/2,-z+1/2
  5  -x,-y,-z
  6  x+1/2,y,-z+1/2
  7  x,-y+1/2,z
  8  -x+1/2,y+1/2,z+1/2
loop_
 _atom_site_label
 _atom_site_occupancy
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_adp_type
 _atom_site_B_iso_or_equiv
 _atom_site_type_symbol
 _atom_site_symmetry_multiplicity
 _atom_site_Wyckoff_label
Al1 1.0000000000 0.0937000000 0.2500000000 0.6607000000  Biso 1.0 Al 4 c
Al2 1.0000000000 0.9000000000 0.2500000000 0.9601000000  Biso 1.0 Al 4 c
Al3 1.0000000000 0.1042000000 0.2500000000 0.0403000000  Biso 1.0 Al 4 c
Al4 1.0000000000 0.4031000000 0.2500000000 0.1493000000  Biso 1.0 Al 4 c
Al5 1.0000000000 0.3196000000 0.2500000000 0.8441000000  Biso 1.0 Al 4 c
Mn17 1.0000000000 0.0420000000 0.2500000000 0.8538000000  Biso 1.0 Mn 4 c
Mn18 1.0000000000 0.2333000000 0.2500000000 0.1783000000  Biso 1.0 Mn 4 c
Mn19 1.0000000000 0.0535000000 0.2500000000 0.4543000000  Biso 1.0 Mn 4 c
Mn20 1.0000000000 0.2261000000 0.2500000000 0.5217000000  Biso 1.0 Mn 4 c
Mn21 1.0000000000 0.0565000000 0.2500000000 0.2429000000  Biso 1.0 Mn 4 c
Mn22 1.0000000000 0.8331000000 0.2500000000 0.1530000000  Biso 1.0 Mn 4 c
Al10 1.0000000000 0.1812000000 0.3525000000 0.3489000000  Biso 1.0 Al 8 d
Al11 1.0000000000 0.7742000000 0.3785000000 0.8381000000  Biso 1.0 Al 8 d
Al12 1.0000000000 0.9489000000 0.3736000000 0.5417000000  Biso 1.0 Al 8 d
Al13 1.0000000000 0.7643000000 0.3763000000 0.4743000000  Biso 1.0 Al 8 d
Al14 1.0000000000 0.9509000000 0.3783000000 0.7620000000  Biso 1.0 Al 8 d
Al15 1.0000000000 0.1623000000 0.3764000000 0.8365000000  Biso 1.0 Al 8 d
Al16 1.0000000000 0.9586000000 0.3882000000 0.1490000000  Biso 1.0 Al 8 d
Al6 1.0000000000 0.0158000000 0.4357000000 0.3498000000  Biso 1.0 Al 8 d
Al7 1.0000000000 0.8094000000 0.4338000000 0.2701000000  Biso 1.0 Al 8 d
Al8 1.0000000000 0.1296000000 0.4351000000 0.5351000000  Biso 1.0 Al 8 d
Al9 1.0000000000 0.5203000000 0.4217000000 0.5495000000  Biso 1.0 Al 8 d
Mn23 1.0000000000 0.8210000000 0.4429000000 0.6519000000  Biso 1.0 Mn 8 d
Mn24 1.0000000000 0.8169000000 0.4393000000 0.0379000000  Biso 1.0 Mn 8 d
Mn25 1.0000000000 0.1268000000 0.4383000000 0.1580000000  Biso 1.0 Mn 8 d
